3-[4-(acetyloxy)phenyl]-7-[(tert-butyldimethylsilyl)oxy]-4-oxo-4H-chromen-5-yl acetate

• ChemBase编号: 166770
• 分子式: C25H28O7Si
• 平均质量: 468.57112
• 单一同位素质量: 468.16042977
• SMILES: c1c(cc2c(c1OC(=O)C)c(=O)c(co2)c1ccc(cc1)OC(=O)C)O[Si](C)(C)C(C)(C)C
• Canonical SMILES: CC(=O)Oc1cc(cc2c1c(=O)c(co2)c1ccc(cc1)OC(=O)C)O[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C25H28O7Si/c1-15(26)30-18-10-8-17(9-11-18)20-14-29-21-12-19(32-33(6,7)25(3,4)5)13-22(31-16(2)27)23(21)24(20)28/h8-14H,1-7H3
• InChIKey: IECOGDOVGZBVFU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-[4-(acetyloxy)phenyl]-7-[(tert-butyldimethylsilyl)oxy]-4-oxo-4H-chromen-5-yl acetate
• IUPAC传统名: 3-[4-(acetyloxy)phenyl]-7-[(tert-butyldimethylsilyl)oxy]-4-oxochromen-5-yl acetate
• 别名: 5-(Acetyloxy)-3-[4-(acetyloxy)phenyl]-7-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-4H-1-Benzopyran-4-one; 4',5-Di-O-acetyl-7-O-tert-butyldimethylsilyl Genistein

登记号

• CAS号: 470666-99-0
• PubChem SID: 162260903
• PubChem CID: 70133153

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 4.5893
• LogD (pH = 7.4): 4.5893
• Log P: 4.5893
• 摩尔折射率: 119.834 cm^3
• 极化性: 48.809914 Å^3
• 极化表面积: 88.13 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Dichloromethane
• 外观: Colourless Solid

详细说明

Toronto Research Chemicals - D326995

Protected Genistein.